2,5-di(propan-2-yl)-2,3-dihydrothiophene

C10H18S — CID 58092324

IUPAC2,5-di(propan-2-yl)-2,3-dihydrothiophene
SMILESCC(C)C1=CCC(C(C)C)S1
InChIInChI=1S/C10H18S/c1-7(2)9-5-6-10(11-9)8(3)4/h5,7-8,10H,6H2,1-4H3
InChIKeyNAAMLHJZPQJKCE-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.69
Rot. Bonds2

About 2,5-di(propan-2-yl)-2,3-dihydrothiophene

2,5-di(propan-2-yl)-2,3-dihydrothiophene (PubChem CID 58092324) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-2,3-dihydrothiophene
PubChem CID58092324
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,5-di(propan-2-yl)-2,3-dihydrothiophene
SMILESCC(C)C1=CCC(C(C)C)S1
InChIInChI=1S/C10H18S/c1-7(2)9-5-6-10(11-9)8(3)4/h5,7-8,10H,6H2,1-4H3
InChIKeyNAAMLHJZPQJKCE-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
5-Butyl-2,3-dihydrothiophene
CID 11062496
5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
4-Methyl-2-pentyl-2,5-dihydrothiophene
CID 57702316
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514
1-Butylsulfanylcyclopentene
CID 134985704
3-(2-Fluoropentyl)-5-methyl-2,3-dihydrothiophene
CID 137417226
5-Methyl-2-(1,1,1-trifluoropropan-2-yl)-2,3-dihydrothiophene
CID 147361574
(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
CID 163447135
(3R)-2-[(S)-fluoro(methylsulfanyl)methyl]-3,5-dimethyl-2,3-dihydrothiophene
CID 173989263

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-2,3-dihydrothiophene?
The IUPAC name of 2,5-di(propan-2-yl)-2,3-dihydrothiophene (CID 58092324) is 2,5-di(propan-2-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 2,5-di(propan-2-yl)-2,3-dihydrothiophene?
The canonical SMILES for 2,5-di(propan-2-yl)-2,3-dihydrothiophene is CC(C)C1=CCC(C(C)C)S1.
What is the InChIKey of 2,5-di(propan-2-yl)-2,3-dihydrothiophene?
The InChIKey is NAAMLHJZPQJKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-7(2)9-5-6-10(11-9)8(3)4/h5,7-8,10H,6H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-2,3-dihydrothiophene?
2,5-di(propan-2-yl)-2,3-dihydrothiophene has a molecular weight of 170.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 58092324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).